3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide

C23H29N7O — CID 129156525

IUPAC3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESN#CCN1CCC(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C23H29N7O/c24-10-15-29-13-8-18(9-14-29)17-4-6-19(7-5-17)27-23-21(22(25)31)26-16-20(28-23)30-11-2-1-3-12-30/h4-7,16,18H,1-3,8-9,11-15H2,(H2,25,31)(H,27,28)
InChIKeyNQIHGQRWJMWUOC-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.01
Rot. Bonds6

About 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide

3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 129156525) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID129156525
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESN#CCN1CCC(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C23H29N7O/c24-10-15-29-13-8-18(9-14-29)17-4-6-19(7-5-17)27-23-21(22(25)31)26-16-20(28-23)30-11-2-1-3-12-30/h4-7,16,18H,1-3,8-9,11-15H2,(H2,25,31)(H,27,28)
InChIKeyNQIHGQRWJMWUOC-UHFFFAOYSA-N
XLogP3.01
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
CID 146485007
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598
4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201308
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[3-(propanoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115244
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)azepan-1-yl]pyrazine-2-carboxamide
CID 118114936
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 157187349

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 129156525) is 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide is N#CCN1CCC(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1.
What is the InChIKey of 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is NQIHGQRWJMWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c24-10-15-29-13-8-18(9-14-29)17-4-6-19(7-5-17)27-23-21(22(25)31)26-16-20(28-23)30-11-2-1-3-12-30/h4-7,16,18H,1-3,8-9,11-15H2,(H2,25,31)(H,27,28).
What are the key properties of 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 129156525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).